4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one

C14H22N4O2 — CID 146085468

IUPAC4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1C(=O)c1ccnn1C(C)C
InChIInChI=1S/C14H22N4O2/c1-4-5-11-13(19)15-8-9-17(11)14(20)12-6-7-16-18(12)10(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,19)
InChIKeyIBANWSOLIFJYDH-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.20
Rot. Bonds4

About 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one

4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one (PubChem CID 146085468) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one
PubChem CID146085468
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1C(=O)c1ccnn1C(C)C
InChIInChI=1S/C14H22N4O2/c1-4-5-11-13(19)15-8-9-17(11)14(20)12-6-7-16-18(12)10(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,19)
InChIKeyIBANWSOLIFJYDH-UHFFFAOYSA-N
XLogP1.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
CID 99123476
4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one
CID 138996501
4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one
CID 138996495
(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one
CID 126437724
butyl 2-[3-oxo-1-(4-propan-2-ylbenzoyl)piperazin-2-yl]acetate
CID 17177448
4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 146124789
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one
CID 46980097
propan-2-yl 2-[1-(4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4933705
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one?
The IUPAC name of 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one (CID 146085468) is 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one.
What is the SMILES notation for 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one?
The canonical SMILES for 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one is CCCC1C(=O)NCCN1C(=O)c1ccnn1C(C)C.
What is the InChIKey of 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one?
The InChIKey is IBANWSOLIFJYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-5-11-13(19)15-8-9-17(11)14(20)12-6-7-16-18(12)10(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,19).
What are the key properties of 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one?
4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one is sourced from PubChem (CID 146085468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).